| train 2418, val 278, test 953 (+extra from /home/sjkim/POLYEDIT/data/real/raw) |
| The tokenizer class you load from this checkpoint is not the same type as the class this function is called from. It may result in unexpected tokenization. |
| The tokenizer class you load from this checkpoint is 'RobertaTokenizer'. |
| The class this function is called from is 'PolymerSmilesTokenizer'. |
| Some weights of RobertaModel were not initialized from the model checkpoint at ChangwenXu/TransPolymer and are newly initialized: ['roberta.pooler.dense.bias', 'roberta.pooler.dense.weight'] |
| You should probably TRAIN this model on a down-stream task to be able to use it for predictions and inference. |
| wandb: Currently logged in as: promotionkim (mhchoiiii-Korea Advanced Institute of Science and Technology) to https://api.wandb.ai. Use `wandb login --relogin` to force relogin |
| wandb: setting up run s6oubhqd |
| wandb: Tracking run with wandb version 0.23.1 |
| wandb: Run data is saved locally in /home/sjkim/POLYEDIT/wandb/run-20260803_143623-s6oubhqd |
| wandb: Run `wandb offline` to turn off syncing. |
| wandb: Syncing run polyedit-verifier-transpolymer-full80 |
| wandb: ⭐️ View project at https://wandb.ai/promotion-kim/polyedit |
| wandb: 🚀 View run at https://wandb.ai/promotion-kim/polyedit/runs/s6oubhqd |
| epoch 1 train 0.8608 val 0.5379 |
| epoch 2 train 0.4393 val 0.2617 |
| epoch 3 train 0.2513 val 0.1970 |
| epoch 4 train 0.1835 val 0.1749 |
| epoch 5 train 0.1486 val 0.1584 |
| epoch 6 train 0.1276 val 0.1589 |
| epoch 7 train 0.1059 val 0.1513 |
| epoch 8 train 0.0944 val 0.1606 |
| epoch 9 train 0.0811 val 0.1690 |
| epoch 10 train 0.0734 val 0.1555 |
| epoch 11 train 0.0675 val 0.1700 |
| epoch 12 train 0.0622 val 0.1690 |
| early stop at epoch 12 (best val 0.1513) |
| wandb: updating run metadata |
| wandb: uploading output.log; uploading wandb-summary.json |
| wandb: uploading history steps 10-12, summary, console lines 10-12 |
| wandb: |
| wandb: Run history: |
| wandb: epoch ▁▂▂▃▄▄▅▅▆▇▇█ |
| wandb: test/EPS_pairwise_acc ▁ |
| wandb: test/EPS_rmse ▁ |
| wandb: test/EPS_rmse_over_interval ▁ |
| wandb: test/EPS_spearman ▁ |
| wandb: test/Eat_pairwise_acc ▁ |
| wandb: test/Eat_rmse ▁ |
| wandb: test/Eat_rmse_over_interval ▁ |
| wandb: test/Eat_spearman ▁ |
| wandb: test/Eea_pairwise_acc ▁ |
| wandb: +25 ... |
| wandb: |
| wandb: Run summary: |
| wandb: epoch 12 |
| wandb: test/EPS_pairwise_acc 0.85117 |
| wandb: test/EPS_rmse 0.5682 |
| wandb: test/EPS_rmse_over_interval 5.68197 |
| wandb: test/EPS_spearman 0.87051 |
| wandb: test/Eat_pairwise_acc 0.91144 |
| wandb: test/Eat_rmse 0.11029 |
| wandb: test/Eat_rmse_over_interval 1.10288 |
| wandb: test/Eat_spearman 0.95939 |
| wandb: test/Eea_pairwise_acc 0.89208 |
| wandb: +25 ... |
| wandb: |
| wandb: 🚀 View run polyedit-verifier-transpolymer-full80 at: https://wandb.ai/promotion-kim/polyedit/runs/s6oubhqd |
| wandb: ⭐️ View project at: https://wandb.ai/promotion-kim/polyedit |
| wandb: Synced 5 W&B file(s), 0 media file(s), 0 artifact file(s) and 0 other file(s) |
| wandb: Find logs at: ./wandb/run-20260803_143623-s6oubhqd/logs |
|
|
| prop RMSE MAE RMSE/interval spearman pairwise |
| Egc 0.485 0.359 4.9 0.944 0.896 |
| Egb 0.712 0.481 7.1 0.950 0.906 |
| Eea 0.389 0.295 3.9 0.940 0.892 |
| Ei 0.469 0.325 4.7 0.886 0.872 |
| EPS 0.568 0.394 5.7 0.871 0.851 |
| Nc 0.086 0.062 1.7 0.955 0.904 |
| Xc 24.780 20.050 12.4 0.227 0.572 |
| Eat 0.110 0.080 1.1 0.959 0.911 |
|
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